报告题目: Computational Screening 2D Materials as Efficient Catalysts for Energy and Environmental Applications
报告人: Prof. Aijun Du
School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, Gardens Point Campus, Brisbane, QLD 4001, Australia
报告时间:2018年4月10日星期二下午14:00-15:00
报告地点:苏大放射医学及交叉学科研究院（401号楼），分子影像与核医学研究中心会议室1125
ABSTRACT: Significant research progress in the field of 2D materials has been made in recent years following the discovery of graphene. Such materials at reduced dimension possesses well-known quantum confinement, which have significant impact on materials’ electronic structure, leading to the modulation of catalysis properties. Our recent research mainly focuses on exploring a wide range of 2D materials as potential efficient catalysts for Hydrogen/Oxygen Evolution, CO2/Oxygen Reduction Reactions and water splitting by using high throughput computational screening approaches. In this presentation, I will share our recent research progress on searching (i) transition metal doped graphitic carbon nitride for CO2 reduction [1]; (ii) functionalized 2D Mxenes for hydrogen evolution reaction [2]; (iii) 2D coordination polymers for oxygen evolution and reduction reaction [3]; (iv) single transition metal atoms supported on defective graphene for oxygen evolution reaction [4]; novel 2D materials with favorable band positions for water splitting [5-6].
References
1. Guoping Gao, Yan Jiao, Eric R Waclawik and Aijun Du, J. Amer. Chem. Soc. 138 (19), 6292-6297 (2016).
2. Guoping Gao, Anthony P O’Mullane and Aijun Du, ACS Catalysis. 7 (1), 494-500 (2017).
3. Guoping Gao, Eric R Waclawik and Aijun Du, J. Catalysis 352, 579-585 (2017).
4. Guoping Gao, Steven Bottle and Aijun Du, Catalysis Science and Technology, 8, 996-1001 (2017), cover image.
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